Shanghai University

Our research is focused on how to develop regression or classification models used in the chemical and material sciences. The chemical descriptors, such as ionic radius, atomic radius, electronegativity, energies, geometric parameters, etc, have been used as feature to build the models which can predict the properties accurately, with data mining approach (Support Vector Machin, Artificial neural networks, Genetic Algorithm, etc.)

Our research is focused on how to find the best conditions of preparation or the
structure-property relationship of materials, in order to make experimental design for
new materials preparation or to predict the physico-chemical properties of unknown
materials system.

Our research is focused on how to find the structure-active relationship of molecules,
in order to design new compounds with expected biological activities or predict the
physico-chemical properties of unknown molecules.